N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide

C21H26N2O — CID 110754688

IUPACN-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
SMILESCN1CCC(CC(=O)N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c1-22-14-12-18(13-15-22)16-21(24)23(20-10-6-3-7-11-20)17-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3
InChIKeyRXLVXJSRUATNGQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.95
Rot. Bonds5

About N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide

N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide (PubChem CID 110754688) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
PubChem CID110754688
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
SMILESCN1CCC(CC(=O)N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c1-22-14-12-18(13-15-22)16-21(24)23(20-10-6-3-7-11-20)17-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3
InChIKeyRXLVXJSRUATNGQ-UHFFFAOYSA-N
XLogP3.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754675
N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide
CID 99969717
N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-phenylacetamide
CID 91802129
2-cyclopentyl-N-[(3-methylphenyl)methyl]-N-phenylacetamide
CID 91043678
2-[1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 112707407
N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 57062888
N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 109014601
N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide
CID 111123187
N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide
CID 52659816
1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 24565100
N-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide
CID 109032779
N-benzyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 23563457

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide?
The IUPAC name of N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide (CID 110754688) is N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide is CN1CCC(CC(=O)N(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide?
The InChIKey is RXLVXJSRUATNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-22-14-12-18(13-15-22)16-21(24)23(20-10-6-3-7-11-20)17-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3.
What are the key properties of N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide?
N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide has a molecular weight of 322.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide is sourced from PubChem (CID 110754688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).